bis(2-adamantyl)methanimine

C21H31N — CID 1234814

IUPACbis(2-adamantyl)methanimine
SMILES[H]N=C(C1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H31N/c22-21(19-15-3-11-1-12(5-15)6-16(19)4-11)20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20,22H,1-10H2
InChIKeyKQXNKGZIULLKAU-UHFFFAOYSA-N
MW297.49 g/mol
LogP5.15
Rot. Bonds2

About bis(2-adamantyl)methanimine

bis(2-adamantyl)methanimine (PubChem CID 1234814) has the molecular formula C21H31N and a molecular weight of 297.49 g/mol. Its IUPAC name is bis(2-adamantyl)methanimine.

Molecular Properties

Compound Namebis(2-adamantyl)methanimine
PubChem CID1234814
Molecular FormulaC21H31N
Molecular Weight297.49 g/mol
Exact Mass297.25
IUPAC Namebis(2-adamantyl)methanimine
SMILES[H]N=C(C1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H31N/c22-21(19-15-3-11-1-12(5-15)6-16(19)4-11)20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20,22H,1-10H2
InChIKeyKQXNKGZIULLKAU-UHFFFAOYSA-N
XLogP5.15
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.49
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze bis(2-adamantyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2-adamantyl)methanimine?
The IUPAC name of bis(2-adamantyl)methanimine (CID 1234814) is bis(2-adamantyl)methanimine.
What is the SMILES notation for bis(2-adamantyl)methanimine?
The canonical SMILES for bis(2-adamantyl)methanimine is [H]N=C(C1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of bis(2-adamantyl)methanimine?
The InChIKey is KQXNKGZIULLKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N/c22-21(19-15-3-11-1-12(5-15)6-16(19)4-11)20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20,22H,1-10H2.
What are the key properties of bis(2-adamantyl)methanimine?
bis(2-adamantyl)methanimine has a molecular weight of 297.49 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-adamantyl)methanimine is sourced from PubChem (CID 1234814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).